2,2-bis(methylsulfanyl)butane

C6H14S2 — CID 90995794

IUPAC2,2-bis(methylsulfanyl)butane
SMILESCCC(C)(SC)SC
InChIInChI=1S/C6H14S2/c1-5-6(2,7-3)8-4/h5H2,1-4H3
InChIKeyYKBYQELCPCVXCJ-UHFFFAOYSA-N
MW150.31 g/mol
LogP2.84
Rot. Bonds3

About 2,2-bis(methylsulfanyl)butane

2,2-bis(methylsulfanyl)butane (PubChem CID 90995794) has the molecular formula C6H14S2 and a molecular weight of 150.31 g/mol. Its IUPAC name is 2,2-bis(methylsulfanyl)butane.

Molecular Properties

Compound Name2,2-bis(methylsulfanyl)butane
PubChem CID90995794
Molecular FormulaC6H14S2
Molecular Weight150.31 g/mol
Exact Mass150.05
IUPAC Name2,2-bis(methylsulfanyl)butane
SMILESCCC(C)(SC)SC
InChIInChI=1S/C6H14S2/c1-5-6(2,7-3)8-4/h5H2,1-4H3
InChIKeyYKBYQELCPCVXCJ-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methylsulfanylbutane-2-thiol
CID 89333098
3-methyl-3-methylsulfanylhexane
CID 91501828
2-methoxy-2-methylsulfanylbutane
CID 123157365
1,1-bis(methylsulfanyl)propane-1-thiol
CID 174923915
ditert-butyl(diethyl)azanium
CID 174667270
N,2-dimethyl-N-methylsulfanylbutan-2-amine
CID 168917994
pentakis(2,2-dimethylbutane);methane
CID 161368616
tetrakis(2,2-dimethylbutane);methane
CID 158609630
bis(2,2-dimethylbutane);tungsten
CID 157126936
2,2,3-trimethyl-3-(2,2,3-trimethylpentan-3-yldisulfanyl)pentane
CID 141460643
2-methyl-2-(2-methylbutan-2-yloxy)butane;hydrochloride
CID 87152227
N,2-dimethyl-2-methylsulfanylpropan-1-amine;hydrochloride
CID 126844411

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(methylsulfanyl)butane?
The IUPAC name of 2,2-bis(methylsulfanyl)butane (CID 90995794) is 2,2-bis(methylsulfanyl)butane.
What is the SMILES notation for 2,2-bis(methylsulfanyl)butane?
The canonical SMILES for 2,2-bis(methylsulfanyl)butane is CCC(C)(SC)SC.
What is the InChIKey of 2,2-bis(methylsulfanyl)butane?
The InChIKey is YKBYQELCPCVXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S2/c1-5-6(2,7-3)8-4/h5H2,1-4H3.
What are the key properties of 2,2-bis(methylsulfanyl)butane?
2,2-bis(methylsulfanyl)butane has a molecular weight of 150.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(methylsulfanyl)butane is sourced from PubChem (CID 90995794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).